N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide

C26H32N4O3 — CID 118754590

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(OC)c1
InChIInChI=1S/C26H32N4O3/c1-16-12-22-18(3)28-26(29-23(22)13-17(16)2)30-10-8-19(9-11-30)25(31)27-15-20-6-7-21(32-4)14-24(20)33-5/h6-7,12-14,19H,8-11,15H2,1-5H3,(H,27,31)
InChIKeyLLKPPXLVOXYTJO-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.11
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 118754590) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
PubChem CID118754590
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(OC)c1
InChIInChI=1S/C26H32N4O3/c1-16-12-22-18(3)28-26(29-23(22)13-17(16)2)30-10-8-19(9-11-30)25(31)27-15-20-6-7-21(32-4)14-24(20)33-5/h6-7,12-14,19H,8-11,15H2,1-5H3,(H,27,31)
InChIKeyLLKPPXLVOXYTJO-UHFFFAOYSA-N
XLogP4.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide
CID 28955325
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 53198768
N-[(2,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55577918
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(5-fluoro-2-methylphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42169453

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide (CID 118754590) is N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is LLKPPXLVOXYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-12-22-18(3)28-26(29-23(22)13-17(16)2)30-10-8-19(9-11-30)25(31)27-15-20-6-7-21(32-4)14-24(20)33-5/h6-7,12-14,19H,8-11,15H2,1-5H3,(H,27,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118754590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).